Water → HCID 21108760, compound

HRID 100928Notes

Reaction equation

HRID 100928 reaction equation
[CH:45]([N:46]=[C:47]=[N:48][CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:54][CH2:55][Cl:56].[NH2:37][CH2:38][CH2:39][N:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[n:13][n:14][c:15](-[c:17]2[cH:18][cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25]2)[o:16]1.[OH2:26].[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[n:13][n:14][c:15](-[c:17]2[cH:18][cH:19][c:20]([C:21](=[O:23])[NH:37][CH2:38][CH2:39][N:40]3[CH2:41][CH2:42][CH2:43][CH2:44]3)[cH:24][cH:25]2)[o:16]1

Participants

7

Reactant 6

HCID 962WaterHCID 13441-PyrrolidineethanamineHCID 6344DichloromethaneHCID 12734DiisopropylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 211085854-[5-(2-Phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid

Product 1

HCID 21108760HCID 21108760, compound

Sources & evidence

ORD record
ord-eb4622ec167646868476818f0a968294
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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